| Name : ghemical
| |
| Version : 1.01
| Vendor : Aurox Sp_ z o_o_
|
| Release : 9.3.aur.1
| Date : 2004-01-28 13:32:39
|
| Group : Applications/Chemistry
| Source RPM : ghemical-1.01-9.3.aur.1.src.rpm
|
| Size : 5.61 MB
| |
| Packager : Aurox Sp_ z o_o_ http://www_aurox_org
| |
| Summary : The MM and QM calculations frontend.
|
Description :
Ghemical is a computational chemistry software package released under the
GNU GPL.
Ghemical is written in C++. It has a graphical user interface (in fact,
a couple of them), and it supports both quantum-mechanics (semi-empirical
and ab initio) models and molecular mechanics models (there is an experimental
Tripos 5.2-like force field for organic molecules). Also a tool for reduced
protein models is included. Geometry optimization, molecular dynamics
and a large set of visualization tools are currently available.
|
RPM found in directory: /vol/rzm4/linux-aurox/10.2/ALL/packages/base/RPMS |
